Discovery of novel low molecular weight inhibitors of IMPDH via virtual needle screening

Bioorganic & Medicinal Chemistry Letters
2003.0

Abstract

Novel, low molecular weight inhibitors of IMPDH have been discovered through the application of a validated virtual screening protocol. A series of 21 IMPDH inhibitors were used to validate the docking procedure. Application of this procedure to the selection of compounds for screening from an in-house database resulted in a 50-fold reduction in the size of the screening set (3425 to 74 compounds) and gave a hit-rate of 10% on biological evaluation.

Knowledge Graph

Similar Paper

Discovery of novel low molecular weight inhibitors of IMPDH via virtual needle screening
Bioorganic & Medicinal Chemistry Letters 2003.0
Identification of novel inhibitors for a low molecular weight protein tyrosine phosphatase via virtual screening
Bioorganic & Medicinal Chemistry 2010.0
Pharmacophore based virtual screening, molecular docking and biological evaluation to identify novel PDE5 inhibitors with vasodilatory activity
Bioorganic & Medicinal Chemistry Letters 2014.0
Virtual Screening to Successfully Identify Novel Janus Kinase 3 Inhibitors: A Sequential Focused Screening Approach
Journal of Medicinal Chemistry 2008.0
Discovery of Diverse Human Dihydroorotate Dehydrogenase Inhibitors as Immunosuppressive Agents by Structure-Based Virtual Screening
Journal of Medicinal Chemistry 2012.0
Discovery of a potent angiotensin converting enzyme inhibitor via virtual screening
Bioorganic & Medicinal Chemistry Letters 2017.0
Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase inhibitors
European Journal of Medicinal Chemistry 2010.0
Discovery of Novel Potent Reversible and Irreversible Myeloperoxidase Inhibitors Using Virtual Screening Procedure
Journal of Medicinal Chemistry 2017.0
Successful Virtual Screening for Novel Inhibitors of Human Carbonic Anhydrase:  Strategy and Experimental Confirmation
Journal of Medicinal Chemistry 2002.0
Frontal Affinity Chromatography with MS Detection of EphB2 Tyrosine Kinase Receptor. 2. Identification of Small-Molecule Inhibitors via Coupling with Virtual Screening
Journal of Medicinal Chemistry 2005.0